5-(2,4-dimethoxyphenyl)-1H-pyrazole

C11H12N2O2 — CID 15859649

IUPAC5-(2,4-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2ccn[nH]2)c(OC)c1
InChIInChI=1S/C11H12N2O2/c1-14-8-3-4-9(11(7-8)15-2)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13)
InChIKeyHEQGATYGFKDZIA-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.09
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-1H-pyrazole

5-(2,4-dimethoxyphenyl)-1H-pyrazole (PubChem CID 15859649) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1H-pyrazole
PubChem CID15859649
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(2,4-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2ccn[nH]2)c(OC)c1
InChIInChI=1S/C11H12N2O2/c1-14-8-3-4-9(11(7-8)15-2)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13)
InChIKeyHEQGATYGFKDZIA-UHFFFAOYSA-N
XLogP2.09
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1H-pyrazole (CID 15859649) is 5-(2,4-dimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1H-pyrazole is COc1ccc(-c2ccn[nH]2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1H-pyrazole?
The InChIKey is HEQGATYGFKDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-14-8-3-4-9(11(7-8)15-2)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13).
What are the key properties of 5-(2,4-dimethoxyphenyl)-1H-pyrazole?
5-(2,4-dimethoxyphenyl)-1H-pyrazole has a molecular weight of 204.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 15859649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).